SCHEMBL19785968

SCHEMBL19785968

CC(N)CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 4/20 0.43
HSP90AA1 P07900 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8617860 0.80 CCR1 (0.51) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL13596182 0.80 CYP1A2 (0.55) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL2536206 0.80 CCR1 (0.55) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL7790789 0.79 CYP2D6 (0.67) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL9678486 0.79 CCR1 (0.50) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL12131380 0.77 CCR1 (0.51) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL13303083 0.77 CCR1 (0.55) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL9676963 0.77 CYP1A2 (0.59) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL7784900 0.77 CYP1A2 (0.59) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL17783303 0.77 CCR1 (0.47) CCR1CCR5CCR8KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294332-B2 Functionalized siloxane materials MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2019-05-21 US disclosed
US-20180016401-A1 FUNCTIONALIZED SILOXANE MATERIALS MOMENTIVE PERFORMANCE MATERIALS INC. 2018-01-18 US disclosed